(2R)-2-[(1-Benzothiophen-2-Ylcarbonyl)Amino]-3-(3-Methylphenyl)Propyl Dihydrogen Phosphate

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Properties Simple | Detailed

Formula C19H18NO5PS
IUPAC Name n-[(1r)-1-(m-tolylmethyl)-2-[(3-oxo-1,2,3λ5-dioxaphosphiran-3-yl)oxy]ethyl]benzothiophene-2-carboxamide
Molecular Mass 403.389 g·mol−1
Heat of Formation -1011.1 ± 16.7 kJ·mol−1
Dipole Moment 2.60 ± 1.08 D
Volume 462.02 Å 3
Surface Area 395.36 Å 2
HOMO Energy -8.77 ± 0.55 eV
LUMO Energy 2.08 ± eV
Point Group Symmetry C1
Synonyms
  • [(2r)-2-(1-benzothiophen-2-ylcarbonylamino)-3-(3-methylphenyl)propyl] dihydrogen phosphate
  • [(2r)-2-(1-benzothiophene-2-carbonylamino)-3-(3-methylphenyl)propyl] dihydrogen phosphate
  • [(2r)-2-(benzothiophene-2-carbonylamino)-3-(3-methylphenyl)propyl] dihydrogen phosphate
  • [(2r)-2-[(2-benzothiophenyl-oxomethyl)amino]-3-(3-methylphenyl)propyl] dihydrogen phosphate
InChIKey VJUQXEZAYUVHJF-MRXNPFEDSA-N
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